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Design of a Novel and Selective IRAK4 Inhibitor Using Topological Water Network Analysis and Molecular Modeling Approaches

Protein kinases are deeply involved in immune-related diseases and various cancers. They are a potential target for structure-based drug discovery, since the general structure and characteristics of kinase domains are relatively well-known. However, the ATP binding sites in protein kinases, which se...

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Detalles Bibliográficos
Autores principales: Lee, Myeong Hwi, Balupuri, Anand, Jung, Ye-rim, Choi, Sungwook, Lee, Areum, Cho, Young Sik, Kang, Nam Sook
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6321621/
https://www.ncbi.nlm.nih.gov/pubmed/30501110
http://dx.doi.org/10.3390/molecules23123136